State resetting is a fundamental but often overlooked capability of simulators. It supports sample-based planning by allowing resets to previously encountered simulation states, and enables calibration of simulators using real data by resetting to states observed in real-system traces. While often taken for granted, state resetting in complex simulators can be nontrivial: when the simulator comes with latent variables (states), state resetting requires sampling from the posterior over the latent state given the observable history, a.k.a. the belief state (Silver and Veness, 2010). While exact sampling is often infeasible, many approximate belief-state samplers can be constructed, raising the question of how to select among them using only sampling access to the simulator. In this paper, we show that this problem reduces to a general conditional distribution-selection task and develop a new algorithm and analysis under sampling-only access. Building on this reduction, the belief-state selection problem admits two different formulations: latent state-based selection, which directly targets the conditional distribution of the latent state, and observation-based selection, which targets the induced distribution over the observation. Interestingly, these formulations differ in how their guarantees interact with the downstream roll-out methods: perhaps surprisingly, observation-based selection may fail under the most natural roll-out method (which we call Single-Reset) but enjoys guarantees under the less conventional alternative (which we call Repeated-Reset). Together with discussion on issues such as distribution shift and the choice of sampling policies, our paper reveals a rich landscape of algorithmic choices, theoretical nuances, and open questions, in this seemingly simple problem.

The validation of a data-driven model is the process of asses sing the model's ability to generalize to new, unseen data in the population o f interest. This paper proposes a set of general rules for model validation. T hese rules are designed to help practitioners create reliable validation plans and report their results transparently. While no validation scheme is flawle ss, these rules can help practitioners ensure their strategy is sufficient for pr actical use, openly discuss any limitations of their validation strategy, and r eport clear, comparable performance metrics. Keywords: Validation, Cross-validation 1. Introduction Model validation is a fundamental task in all modern data-dr iven systems, whether they fall under the broad categories of Statistics, Machine Learning (ML), Artificial Intelligence (AI), or more specialized fiel ds like chemometrics. Validation has become a major focus for regulatory and stand ardization bodies, with key reports and standards highlighting the growing con cern for ensuring the trustworthiness and reliability of data-driven models: NIST AI Risk Management Framework (AI RMF 1.0, 2023): Publi shed by the U.S. Department of Commerce, this framework provides management techniques to address the risks and ensure the trustwor thiness of AI systems, with validation as a core component. The EU AI Act of 2024, landmark piece of EU legislation that c ategorizes AI systems by risk level, where validation is not defined as a b est practice but a legal requirement within the conformity assessment. The ISO/IEC TS 4213:2022, by the International Organizati on for Standardization (ISO), describes approaches and methods to ens ure the rele-Email address: josecamacho@ugr.es The IEEE P2841 -2022 is a recommended practice for the fram ework and process for deep learning evaluation.

Early and accurate detection of Alzheimer's disease (AD) is crucial for enabling timely intervention and improving outcomes. However, developing reliable machine learning (ML) models for AD diagnosis is challenging due to limited labeled data, multi-site heterogeneity, and class imbalance. We propose a Transformer-based diagnostic framework that combines diffusion-based synthetic data generation with graph representation learning and transfer learning. A class-conditional denoising diffusion probabilistic model (DDPM) is trained on the real-world NACC dataset to generate a large synthetic cohort that mirrors multimodal clinical and neuroimaging feature distributions while balancing diagnostic classes. Modality-specific Graph Transformer encoders are first pretrained on this synthetic data to learn robust, class-discriminative representations and are then frozen while a neural classifier is trained on embeddings from the original NACC data. We quantify distributional alignment between real and synthetic cohorts using metrics such as Maximum Mean Discrepancy (MMD), Frechet distance, and energy distance, and complement discrimination metrics with calibration and fixed-specificity sensitivity analyses. Empirically, our framework outperforms standard baselines, including early and late fusion deep neural networks and the multimodal graph-based model MaGNet, yielding higher AUC, accuracy, sensitivity, and specificity under subject-wise cross-validation on NACC. These results show that diffusion-based synthetic pretraining with Graph Transformers can improve generalization in low-sample, imbalanced clinical prediction settings.

Incorrectly labelled training data are frustratingly ubiquitous in both benchmark and specially curated datasets. Such mislabelling clearly adversely affects the performance and generalizability of models trained through supervised learning on the associated datasets. Frameworks for detecting label errors typically require well-trained / well-generalized models; however, at the same time most frameworks rely on training these models on corrupt data, which clearly has the effect of reducing model generalizability and subsequent effectiveness in error detection -- unless a training scheme robust to label errors is employed. We evaluate two novel loss functions, Blurry Loss and Piecewise-zero Loss, that enhance robustness to label errors by de-weighting or disregarding difficult-to-classify samples, which are likely to be erroneous. These loss functions leverage the idea that mislabelled examples are typically more difficult to classify and should contribute less to the learning signal. Comprehensive experiments on a variety of artificially corrupted datasets demonstrate that the proposed loss functions outperform state-of-the-art robust loss functions in nearly all cases, achieving superior F1 scores for error detection. Further analyses through ablation studies offer insights to confirm these loss functions' broad applicability to cases of both uniform and non-uniform corruption, and with different label error detection frameworks. By using these robust loss functions, machine learning practitioners can more effectively identify, prune, or correct errors in their training data.

The rise of generative AI has enabled the production of high-fidelity synthetic tabular data across fields such as healthcare, finance, and public policy, raising growing concerns about data provenance and misuse. Watermarking offers a promising solution to address these concerns by ensuring the traceability of synthetic data, but existing methods face many limitations: they are computationally expensive due to reliance on large diffusion models, struggle with mixed discrete-continuous data, or lack robustness to post-modifications. To address them, we propose TAB-DRW, an efficient and robust post-editing watermarking scheme for generative tabular data. TAB-DRW embeds watermark signals in the frequency domain: it normalizes heterogeneous features via the Yeo-Johnson transformation and standardization, applies the discrete Fourier transform (DFT), and adjusts the imaginary parts of adaptively selected entries according to precomputed pseudorandom bits. To further enhance robustness and efficiency, we introduce a novel rank-based pseudorandom bit generation method that enables row-wise retrieval without incurring storage overhead. Experiments on five benchmark tabular datasets show that TAB-DRW achieves strong detectability and robustness against common post-processing attacks, while preserving high data fidelity and fully supporting mixed-type features.

Lindsey (2025) investigates introspective awareness in language models through four experiments, finding that models can sometimes detect and identify injected activation patterns -- but unreliably (~20% success in the best model). We focus on the first of these experiments -- self-report of injected "thoughts" -- and ask whether this capability can be directly trained rather than waiting for emergence. Through fine-tuning on transient single-token injections, we transform a 7B parameter model from near-complete failure (0.4% accuracy, 6.7% false positive rate) to reliable detection (85% accuracy on held-out concepts at α=40, 0% false positives). Our model detects fleeting "thoughts" injected at a single token position, retains that information, and reports the semantic content across subsequent generation steps. On this task, our trained model satisfies three of Lindsey's criteria: accuracy (correct identification), grounding (0/60 false positives), and internality (detection precedes verbalization). Generalization to unseen concept vectors (7.5pp gap) demonstrates the model learns a transferable skill rather than memorizing specific vectors, though this does not establish metacognitive representation in Lindsey's sense. These results address an open question raised by Lindsey: whether "training for introspection would help eliminate cross-model differences." We show that at least one component of introspective behavior can be directly induced, offering a pathway to built-in AI transparency.

Higher-order networks, naturally described as hypergraphs, are essential for modeling real-world systems involving interactions among three or more entities. Stochastic block models offer a principled framework for characterizing mesoscale organization, yet their extension to hypergraphs involves a trade-off between expressive power and computational complexity. A recent simplification, a single-order model, mitigates this complexity by assuming a single affinity pattern governs interactions of all orders. This universal assumption, however, may overlook order-dependent structural details. Here, we propose a framework that relaxes this assumption by introducing a multi-order block structure, in which different affinity patterns govern distinct subsets of interaction orders. Our framework is based on a multi-order stochastic block model and searches for the optimal partition of the set of interaction orders that maximizes out-of-sample hyperlink prediction performance. Analyzing a diverse range of real-world networks, we find that multi-order block structures are prevalent. Accounting for them not only yields better predictive performance over the single-order model but also uncovers sharper, more interpretable mesoscale organization. Our findings reveal that order-dependent mechanisms are a key feature of the mesoscale organization of real-world higher-order networks.

Machine learning models trained on real-world data may inadvertently make biased predictions that negatively impact marginalized communities. Reweighting is a method that can mitigate such bias in model predictions by assigning a weight to each data point used during model training. In this paper, we compare three methods for generating these weights: (1) evolving them using a Genetic Algorithm (GA), (2) computing them using only dataset characteristics, and (3) assigning equal weights to all data points. Model performance under each strategy was evaluated using paired predictive and fairness metrics, which also served as optimization objectives for the GA during evolution. Specifically, we used two predictive metrics (accuracy and area under the Receiver Operating Characteristic curve) and two fairness metrics (demographic parity difference and subgroup false negative fairness). Using experiments on eleven publicly available datasets (including two medical datasets), we show that evolved sample weights can produce models that achieve better trade-offs between fairness and predictive performance than alternative weighting methods. However, the magnitude of these benefits depends strongly on the choice of optimization objectives. Our experiments reveal that optimizing with accuracy and demographic parity difference metrics yields the largest number of datasets for which evolved weights are significantly better than other weighting strategies in optimizing both objectives.

Training deep networks with noisy labels leads to poor generalization and degraded accuracy due to overfitting to label noise. Existing approaches for learning with noisy labels often rely on the availability of a clean subset of data. By pre-training a feature extractor backbone without labels using self-supervised learning (SSL), followed by standard supervised training on the noisy dataset, we can train a more noise robust model without requiring a subset with clean labels. We evaluate the use of SimCLR and Barlow~Twins as SSL methods on CIFAR-10 and CIFAR-100 under synthetic and real world noise. Across all noise rates, self-supervised pre-training consistently improves classification accuracy and enhances downstream label-error detection (F1 and Balanced Accuracy). The performance gap widens as the noise rate increases, demonstrating improved robustness. Notably, our approach achieves comparable results to ImageNet pre-trained models at low noise levels, while substantially outperforming them under high noise conditions.

Tubular trees, such as blood vessels and lung airways, are essential for material transport within the human body. Accurately detecting their centerlines with correct tree topology is critical for clinical tasks such as diagnosis, treatment planning, and surgical navigation. In these applications, maintaining high recall is crucial, as missing small branches can result in fatal mistakes caused by incomplete assessments or undetected abnormalities. We present RefTr, a 3D image-to-graph model for centerline generation of vascular trees via recurrent refinement of confluent trajectories. RefTr uses a Producer-Refiner architecture based on a Transformer decoder, where the Producer proposes a set of initial confluent trajectories that are recurrently refined by the Refiner to produce final trajectories, which forms the centerline graph. The confluent trajectory representation enables refinement of complete trajectories while explicitly enforcing a valid tree topology. The recurrent refinement scheme improves precision and reuses the same Refiner block across multiple steps, yielding a 2.4x reduction in decoder parameters compared to previous SOTA. We also introduce an efficient non-maximum suppression algorithm for spatial tree graphs to merge duplicate branches and boost precision. Across multiple public centerline datasets, RefTr achieves superior recall and comparable precision to previous SOTA, while offering faster inference and substantially fewer parameters, demonstrating its potential as a new state-of-the-art framework for vascular tree analysis in 3D medical imaging.